3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

C14H20N4O2 — CID 72906954

IUPAC3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ncnc(N2CCC(N3CCOC3=O)CC2)c1C
InChIInChI=1S/C14H20N4O2/c1-10-11(2)15-9-16-13(10)17-5-3-12(4-6-17)18-7-8-20-14(18)19/h9,12H,3-8H2,1-2H3
InChIKeyNIURVIXKGBZGJS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.51
Rot. Bonds2

About 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 72906954) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID72906954
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ncnc(N2CCC(N3CCOC3=O)CC2)c1C
InChIInChI=1S/C14H20N4O2/c1-10-11(2)15-9-16-13(10)17-5-3-12(4-6-17)18-7-8-20-14(18)19/h9,12H,3-8H2,1-2H3
InChIKeyNIURVIXKGBZGJS-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 72906954) is 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is Cc1ncnc(N2CCC(N3CCOC3=O)CC2)c1C.
What is the InChIKey of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NIURVIXKGBZGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-11(2)15-9-16-13(10)17-5-3-12(4-6-17)18-7-8-20-14(18)19/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72906954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).